CID 18505222

1-(2-bromoethyl)-2,3-dihydro-1h-indole hydrobromide

Structural Information

Molecular Formula
C10H12BrN
SMILES
C1CN(C2=CC=CC=C21)CCBr
InChI
InChI=1S/C10H12BrN/c11-6-8-12-7-5-9-3-1-2-4-10(9)12/h1-4H,5-8H2
InChIKey
BTWMYSHDKUSMGR-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-2,3-dihydroindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

225.0153 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.02258 145.9
[M+Na]+ 248.00452 149.2
[M+NH4]+ 243.04912 152.0
[M+K]+ 263.97846 149.0
[M-H]- 224.00802 146.8
[M+Na-2H]- 245.98997 148.7
[M]+ 225.01475 145.4
[M]- 225.01585 145.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe